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A six-dimensional H2–H2 potential energy surface for bound state spectroscopy
2008
Journal of Chemical Physics
We present a six-dimensional potential energy surface for the H2-H2 dimer based on ab initio electronic structure calculations. The surface is intended to describe accurately the bound and quasibound states of the dimers H2-H2, D2-D2, and H2-D2 that correlate with H2 or D2 monomers in the rovibrational levels (v, j) = (0, 0), (0, 2), (1, 0), and (1, 2). We use four experimentally measured transition energies for these dimers to make two empirical adjustments to the ab initio surface; the
doi:10.1063/1.2826340
pmid:18433210
fatcat:e34n4hbxt5asnfc5tzk6drq2m4